6C1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | B2 | sing | 1.42Å | 1.50Å | |
| B2 | O1 | sing | 1.42Å | 1.50Å | |
| B2 | C4 | sing | 1.57Å | 1.60Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.49Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.37Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| O10 | C11 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C18 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| CL | C16 | sing | 1.74Å | 1.78Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | B2 | O1 | 115.9° | 120.0° |
| O3 | B2 | C4 | 105.8° | 120.0° |
| B2 | O3 | H8 | 109.5° | 114.0° |
| O1 | B2 | C4 | 103.8° | 120.0° |
| B2 | O1 | H7 | 109.5° | 114.0° |
| B2 | C4 | C5 | 121.1° | 120.1° |
| B2 | C4 | C9 | 123.4° | 120.2° |
| C4 | C5 | C6 | 123.4° | 119.9° |
| C5 | C4 | C9 | 115.3° | 119.7° |
| C4 | C5 | H1 | 118.3° | 120.1° |
| C5 | C6 | C7 | 121.0° | 120.3° |
| C6 | C5 | H1 | 118.3° | 120.0° |
| C5 | C6 | H2 | 119.5° | 119.9° |
| C4 | C9 | O10 | 119.5° | 120.1° |
| C4 | C9 | C8 | 119.6° | 119.7° |
| C6 | C7 | C8 | 119.4° | 120.3° |
| C7 | C6 | H2 | 119.5° | 119.8° |
| C6 | C7 | H3 | 120.3° | 119.9° |
| O10 | C9 | C8 | 120.9° | 120.2° |
| C9 | O10 | C11 | 121.9° | 117.0° |
| C9 | C8 | C7 | 121.3° | 120.1° |
| C9 | C8 | H4 | 119.4° | 119.9° |
| O10 | C11 | C12 | 111.5° | 109.5° |
| O10 | C11 | H9 | 109.0° | 109.5° |
| O10 | C11 | H10 | 108.9° | 109.5° |
| C8 | C7 | H3 | 120.3° | 119.8° |
| C7 | C8 | H4 | 119.3° | 120.0° |
| C11 | C12 | C18 | 121.3° | 120.0° |
| C11 | C12 | C13 | 119.5° | 119.9° |
| C12 | C11 | H9 | 109.0° | 109.5° |
| C12 | C11 | H10 | 109.0° | 109.5° |
| C12 | C18 | C16 | 119.3° | 120.0° |
| C18 | C12 | C13 | 119.2° | 120.0° |
| C12 | C18 | H12 | 120.4° | 120.0° |
| C18 | C16 | CL | 118.0° | 120.0° |
| C18 | C16 | C15 | 121.6° | 120.0° |
| C16 | C18 | H12 | 120.4° | 120.0° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C12 | C13 | H5 | 119.6° | 120.0° |
| CL | C16 | C15 | 120.4° | 120.0° |
| C16 | C15 | C14 | 119.3° | 120.0° |
| C16 | C15 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C14 | C13 | H5 | 119.5° | 120.0° |
| C13 | C14 | H11 | 120.2° | 119.9° |
| C14 | C15 | H6 | 120.3° | 120.0° |
| C15 | C14 | H11 | 120.1° | 120.0° |
| H9 | C11 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | B2 | O1 | C4 | 115.5° | 179.9° |
| O3 | B2 | C4 | C5 | 31.2° | 0.2° |
| O3 | B2 | C4 | C9 | 154.4° | 180.0° |
| O3 | B2 | O1 | H7 | 180.0° | 0.1° |
| O1 | B2 | C4 | C5 | 153.6° | 179.7° |
| O1 | B2 | C4 | C9 | 31.9° | 0.1° |
| O1 | B2 | O3 | H8 | 180.0° | 0.1° |
| B2 | C4 | C5 | C9 | 174.9° | 179.7° |
| B2 | C4 | C5 | C6 | 176.5° | 179.8° |
| B2 | C4 | C9 | O10 | 4.7° | 0.2° |
| B2 | C4 | C9 | C8 | 177.7° | 179.7° |
| B2 | C4 | C5 | H1 | 3.5° | 0.3° |
| C4 | B2 | O1 | H7 | 64.5° | 180.0° |
| C4 | B2 | O3 | H8 | 65.6° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | O10 | 179.4° | 180.0° |
| C5 | C4 | C9 | C8 | 2.9° | 0.0° |
| C4 | C5 | C6 | H2 | 179.7° | 180.0° |
| C6 | C5 | C4 | C9 | 1.6° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C5 | C6 | C7 | H3 | 179.0° | 180.0° |
| C4 | C9 | O10 | C8 | 177.6° | 179.9° |
| C4 | C9 | O10 | C11 | 166.5° | 180.0° |
| C4 | C9 | C8 | C7 | 2.4° | 0.0° |
| C9 | C4 | C5 | H1 | 178.4° | 180.0° |
| C4 | C9 | C8 | H4 | 177.6° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 179.7° | 180.0° |
| C6 | C7 | C8 | H4 | 179.6° | 180.0° |
| O10 | C9 | C8 | C7 | 180.0° | 180.0° |
| C9 | O10 | C11 | C12 | 79.4° | 180.0° |
| O10 | C9 | C8 | H4 | 0.0° | 0.1° |
| C9 | O10 | C11 | H9 | 40.9° | 60.0° |
| C9 | O10 | C11 | H10 | 160.3° | 59.9° |
| C8 | C9 | O10 | C11 | 15.8° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 179.6° | 180.0° |
| O10 | C11 | C12 | H9 | 120.3° | 120.0° |
| O10 | C11 | C12 | H10 | 120.3° | 120.1° |
| O10 | C11 | C12 | C18 | 35.0° | 90.0° |
| O10 | C11 | C12 | C13 | 145.5° | 90.0° |
| O10 | C11 | H9 | H10 | 119.1° | 120.0° |
| C8 | C7 | C6 | H2 | 179.0° | 180.0° |
| C11 | C12 | C18 | C13 | 179.6° | 180.0° |
| C11 | C12 | C18 | C16 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C13 | H5 | 0.3° | 0.3° |
| C12 | C11 | H9 | H10 | 119.1° | 120.0° |
| C11 | C12 | C18 | H12 | 0.5° | 0.1° |
| C12 | C18 | C16 | H12 | 180.0° | 179.9° |
| C12 | C18 | C16 | CL | 179.9° | 179.8° |
| C12 | C18 | C16 | C15 | 0.2° | 0.2° |
| C18 | C12 | C13 | C14 | 0.1° | 0.0° |
| C18 | C12 | C13 | H5 | 179.9° | 179.7° |
| C18 | C12 | C11 | H9 | 155.2° | 150.0° |
| C18 | C12 | C11 | H10 | 85.3° | 30.1° |
| C16 | C18 | C12 | C13 | 0.1° | 0.0° |
| C18 | C16 | CL | C15 | 179.6° | 179.5° |
| C18 | C16 | C15 | C14 | 0.3° | 0.4° |
| C18 | C16 | C15 | H6 | 179.7° | 179.9° |
| C12 | C13 | C14 | H5 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C12 | C11 | H9 | 25.2° | 30.0° |
| C13 | C12 | C11 | H10 | 94.2° | 149.9° |
| C12 | C13 | C14 | H11 | 180.0° | 179.7° |
| C13 | C12 | C18 | H12 | 179.9° | 179.9° |
| CL | C16 | C15 | C14 | 179.9° | 180.0° |
| CL | C16 | C15 | H6 | 0.1° | 0.6° |
| CL | C16 | C18 | H12 | 0.1° | 0.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.5° |
| C16 | C15 | C14 | H6 | 180.0° | 179.4° |
| C16 | C15 | C14 | H11 | 179.9° | 179.5° |
| C15 | C16 | C18 | H12 | 179.8° | 179.7° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | H6 | 179.9° | 179.9° |
| C15 | C14 | C13 | H5 | 179.9° | 179.9° |
| H1 | C5 | C6 | H2 | 0.3° | 0.0° |
| H2 | C6 | C7 | H3 | 1.0° | 0.0° |
| H3 | C7 | C8 | H4 | 0.4° | 0.1° |
| H5 | C13 | C14 | H11 | 0.1° | 0.0° |
| H6 | C15 | C14 | H11 | 0.1° | 0.1° |
